methyl 5-methylimidazo[1,2-a]pyrimidine-6-carboxylate

C9H9N3O2 — CID 155128992

IUPACmethyl 5-methylimidazo[1,2-a]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cnc2nccn2c1C
InChIInChI=1S/C9H9N3O2/c1-6-7(8(13)14-2)5-11-9-10-3-4-12(6)9/h3-5H,1-2H3
InChIKeyAHKLKZHYUPNXTJ-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.82
Rot. Bonds1

About methyl 5-methylimidazo[1,2-a]pyrimidine-6-carboxylate

methyl 5-methylimidazo[1,2-a]pyrimidine-6-carboxylate (PubChem CID 155128992) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is methyl 5-methylimidazo[1,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-methylimidazo[1,2-a]pyrimidine-6-carboxylate
PubChem CID155128992
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Namemethyl 5-methylimidazo[1,2-a]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cnc2nccn2c1C
InChIInChI=1S/C9H9N3O2/c1-6-7(8(13)14-2)5-11-9-10-3-4-12(6)9/h3-5H,1-2H3
InChIKeyAHKLKZHYUPNXTJ-UHFFFAOYSA-N
XLogP0.82
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methylimidazo[1,2-a]pyrimidine-6-carboxylate?
The IUPAC name of methyl 5-methylimidazo[1,2-a]pyrimidine-6-carboxylate (CID 155128992) is methyl 5-methylimidazo[1,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 5-methylimidazo[1,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 5-methylimidazo[1,2-a]pyrimidine-6-carboxylate is COC(=O)c1cnc2nccn2c1C.
What is the InChIKey of methyl 5-methylimidazo[1,2-a]pyrimidine-6-carboxylate?
The InChIKey is AHKLKZHYUPNXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-6-7(8(13)14-2)5-11-9-10-3-4-12(6)9/h3-5H,1-2H3.
What are the key properties of methyl 5-methylimidazo[1,2-a]pyrimidine-6-carboxylate?
methyl 5-methylimidazo[1,2-a]pyrimidine-6-carboxylate has a molecular weight of 191.19 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methylimidazo[1,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 155128992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).